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岩手量子化学計算研究会

会員の論文報告PUBLICATION

研究会会員が報告した、量子化学計算を用いている論文を掲載します。

2018

Xue, S.; Kuzuhara, D.; Aratani, N.; Yamada, H.
[30]Hexaphyrin(2.1.2.1.2.1) as Aromatic Planar Ligand and Its Trinuclear Rhodium(I) Complex
Inorg. Chem., Vol 57, No. 16, 9902, 2018. Link

Kolhe, N. B.; Lee, H.; Kuzuhara, D.; Yoshimoto, N.; Koganezawa, T.; Jenekhe, S. A.
All-Polymer Solar Cells with 9.4% Efficiency from Naphthalene Diimide-Biselenophene Copolymer Acceptor
Chem. Mater., Vol 30, No. 18, 6540, 2018. Link

Toshinobu Korenaga, Kaoru Nitatori, Hiroki Muraoka, Satoshi Ogawa, Kazuaki Shimada
Perfluorocyclopentadienyl Radical Derivative as an Organocatalyst for Oxidative Coupling of Aryl- and Thienylmagnesium Compounds under Atmospheric Oxygen
J. Org. Chem., Vol 83, No. 8, 4835-4839, 2018. Link

Daiki Kuzuhara, Shinsuke Kawatsu, Wataru Furukawa, Hironobu Hayashi, Naoki Aratani, Hiroko Yamada
Synthesis of [14]Oxatriphyrins(2.1.1) and Their Transformation into Ethane-bridged Oxatripyrrins by Boron Complexization
Eur. J. Org. Chem. 2122-2129, 2018. Link

Feng Li, Toshinobu Korenaga, Taishi Nakanishi, Jun Kikuchi, Masahiro Terada
Chiral Phosphoric Acid Catalyzed Enantioselective Ring Expansion Reaction of 1,3-Dithiane Derivatives: Case Study of the Nature of Ion-Pairing Interaction
J. Am. Chem. Soc., Vol. 140, No. 7, pp. 2629-2642, 2018. Link

Toshinobu Korenaga, Ryo Kowata, Tomohiro Kotaki, Yuji Shibasaki, Yoshiyuki Oishi, Kazuaki Shimada
Moderately Flexible Trans-Chelating Diphosphine Ligands Consisting of Triazine Unit Showing High Ligand Acceleration Effect for Heck Reaction
Bull. Chem. Soc. Jpn., Vol 91, No 4, pp. 577-584, 2018. Link

Toshinobu Korenaga
, Ryo Sasaki, Toshihide Takemoto, Toshihisa Yasuda, Masahito Watanabe
Computationally-led Ligand Modification using Interplay between Theory and Experiments: Highly Active Chiral Rhodium Catalyst Controlled by Electronic Effects and CH-π Interactions
Adv. Synth. Catal., vol. 360, Issue 2, pp. 322–333, 2018. Link

2017

Daiki Kuzuhara, Mika Sakaguchi, Wataru Furukawa, Takuya Okabe, Naoki Aratani, Hiroko Yamada
Synthesis, Characterization and Protonation Behavior of Quinoxaline-Fused Porphycenes
Molecules, vol. 22, pp. 908-15, 2017. Link

Akinobu Matsumoto, Mitsuharu Suzuki, Hironobu Hayashi, Daiki Kuzuhara, Junpei Yuasa, Tsuyoshi Kawai, Naoki Aratani, Hiroko Yamada
Studies on Pyrene and Perylene Derivatives upon Oxidation and Application to a Higher Analogue
Bull. Chem. Soc. Jpn., vol. 90, pp. 667-677. Link

Kohtaro Takahashi, Bowen Shan, Xiaomin Xu, Shuaijun Yang, Tomoyuki Koganezawa, Daiki Kuzuhara, Naoki Aratani, Mitsuharu Suzuki, Qian Miao, Hiroko Yamada
Engineering Thin Films of a Tetrabenzoporphyrin toward Efficient Charge-Carrier Transport: Selective Formation of a Brickwork Motif
ACS Appl. Mater. Interfaces, vol. 9, pp. 8211-8218, 2017. Link

2016

Songlin Xue, Daiki Kuzuhara, Naoki Aratani, Hiroko Yamada
Synthesis and Characterization of an Iridium Triphyrin Complex
Inorg. Chem., vol. 55, pp.10106-10109, 2016. Link

Masataka Yamashita, Hironobu Hayashi, Mitsuharu Suzuki, Daiki Kuzuhara, Junpei Yuasa, Tsuyoshi Kawai, Naoki Aratani, Hiroko Yamada
Bisanthra-thianthrene: synthesis, structure and oxidation properties
RSC Adv., vol 6, pp.70700–70703, 2016. Link

Hiroki Muraoka, Takumi Obara, and Satoshi Ogawa
Systematic synthesis, comparative studies of the optical properties, and the ICT-based sensor properties of a series of 2,4,6-tri(5-aryl-2-thienyl)pyrimidines with the D–π–A system
Tetrahedron Lett., Vol. 57, Issues 27-28, pp.3011-3015, 2016. Link

Takeshi Kimura, Naoko Murakami, Eiichi Suzuki, Taniyuki Furuyama, Tsukasa Nakahodo, Hisashi Fujihara, Nagao Kobayashi
Preparation, optical and electrochemical properties, and molecular orbital calculations of tetraazaporphyrinato ruthenium (II) bis(4-methylpyridine) fused with one to four diphenylthiophene units
J. Inorg. Biochem., Vol. 158, 35, 2016. Link

Hiroki Mandai, Kazuki Fujii, Hiroshi Yasuhara, Kenko Abe, Koichi Mitsudo,Toshinobu Korenaga, Seiji Suga
Enantioselective acyl transfer catalysis by a combination of common catalytic motifs and electrostatic interactions
Nature Commun., Vol. 7, 11297, 2016. Link

Norie Momiyama, Hiroshi Okamoto, Jun Kikuchi, Toshinobu Korenaga, Masahiro Terada
Perfluorinated Aryls in the Design of Chiral Brønsted Acid Catalysts: Catalysis of Enantioselective [4 + 2] Cycloadditions and Ene Reactions of Imines with Alkenes by Chiral Mono-Phosphoric Acids with Perfluoroaryls
ACS Catal., Vol. 6, No. 2, pp. 1198–1204, 2016. Link

Ya-YiWang, Kyohei Kanomata, Toshinobu Korenaga, Masahiro Terada
EnantioselectiveAza Michael-Type Addition to AlkenylBenzimidazoles Catalyzed by a Chiral Phosphoric Acid
Angew. Chem. Int. Ed., Vol. 55, No. 3, pp. 927-931, 2016. Link